SCHEMBL29254142

SCHEMBL29254142

NC1CCC(c2cccc3c2Cc2ccccc2-3)CC1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.38
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2A P28223 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ANPEP P15144 1/20 0.30
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29254149 0.78 PNMT (0.46) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6524402 0.71 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL28945985 0.71 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A
Bromide SCHEMBL3383744 0.65 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
Hydrochloric Acid SCHEMBL3385861 0.65 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
Iodide SCHEMBL3382482 0.65 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
Hydrochloric Acid SCHEMBL30274953 0.65 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
Fluoride Ion SCHEMBL3384402 0.65 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL30949492 0.65 PDK2 (0.37)
SCHEMBL28946003 0.65 HTR1A (0.39) PNMTHTR7NPC1RAB9ADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005921-A High-transparency polyimide film material for flexible display and preparation method thereof 大连理工大学盘锦产业技术研究院 2024-05-10 CN claimed